abf convergence problems

From: Jorgen Simonsen (jorgen589_at_gmail.com)
Date: Thu Jan 22 2009 - 11:16:36 CST

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Hi all,

I have been using the ABF methods in order to estimate some energy around a
phi-angle in a peptide with 8 residues. I have applied the following
specifications

fullSamples 5000
dSmooth 0.1
forceConst 1.0

I have been running the simulation for 12 ns and the distribution is not
uniform and some of the gradients are around -0.15. Is there a way to speed
up convergence - any comments or suggestions appreciated.

Thanks in advance

Jorgen

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